Can one suggest solution for the Issue happened with Phonon Dispersion Output in CASTEP?

25 May 2025 1 2K Report

Hi all,

I recently completed the structural optimization using CASTEP and proceeded to run the phonon dispersion calculation. However, while the calculation finished without errors, the phonon spectra were not generated, and I only received an error message.

Has anyone encountered a similar issue, or could you suggest a possible solution?

Thanks in advance for your help.

Philip James Hasnip

This isn't a CASTEP error, it seems to be from the .net framework that Materials Studio uses. Have you tried running a smaller phonon calculation and seeing whether that can be displayed?

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